BDBM50333719 CHEMBL1643732::N-tert-butyl-2-(1-(2-(tert-butylamino)-2-oxoethyl)-2-(2,4-difluorophenyl)-1H-indol-5-yl)-2-methylpropanamide

SMILES: CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccc(F)cc1F

InChI Key: InChIKey=RIXMAIPAVTVMOH-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50333719   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pregnane X receptor (Homo sapiens (Human))	BDBM50333719 (CHEMBL1643732 | N-tert-butyl-2-(1-(2-(tert-butylam...) Show SMILES CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccc(F)cc1F Show InChI InChI=1S/C28H35F2N3O2/c1-26(2,3)31-24(34)16-33-22-12-9-18(28(7,8)25(35)32-27(4,5)6)13-17(22)14-23(33)20-11-10-19(29)15-21(20)30/h9-15H,16H2,1-8H3,(H,31,34)(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	940	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at PXR by induction assay				Bioorg Med Chem Lett 21: 869-73 (2011) Article DOI: 10.1016/j.bmcl.2010.11.067 BindingDB Entry DOI: 10.7270/Q2B27VJK
					More data for this Ligand-Target Pair